Cas no 75852-57-2 ([1,1'-Biphenyl]-3-aceticacid, 5-chloro-a-methyl-)

[1,1'-Biphenyl]-3-aceticacid, 5-chloro-a-methyl- structure
75852-57-2 structure
Product Name:[1,1'-Biphenyl]-3-aceticacid, 5-chloro-a-methyl-
CAS No:75852-57-2
MF:C15H13ClO2
MW:260.715523481369
CID:573590
PubChem ID:53382
Update Time:2025-04-19

[1,1'-Biphenyl]-3-aceticacid, 5-chloro-a-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-aceticacid, 5-chloro-a-methyl-
    • 2-(3-chloro-5-phenylphenyl)propanoic acid
    • 5-Chloro-alpha-methyl-3-biphenylacetic acid
    • AC1L1ET3
    • AC1Q1LGC
    • BRN 5030034
    • CHEMBL356264
    • CTK9A4159
    • LS-44062
    • 75852-57-2
    • 3-BIPHENYLACETIC ACID, 5-CHLORO-alpha-METHYL-
    • DTXSID30997237
    • 2-(5-Chloro[1,1'-biphenyl]-3-yl)propanoic acid
    • Inchi: 1S/C15H13ClO2/c1-10(15(17)18)12-7-13(9-14(16)8-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
    • InChI Key: WTKQTBGYJRPMLM-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C2C=CC=CC=2)C=C(C=1)C(C(=O)O)C

Computed Properties

  • Exact Mass: 260.0604073g/mol
  • Monoisotopic Mass: 260.0604073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 286
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 37.3?2
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